4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

C6H5F4N3O — CID 15590750

IUPAC4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(F)c1C(F)(F)F
InChIInChI=1S/C6H5F4N3O/c1-14-4-2(6(8,9)10)3(7)12-5(11)13-4/h1H3,(H2,11,12,13)
InChIKeyAXRKVXJOBKXCIL-UHFFFAOYSA-N
MW211.12 g/mol
LogP1.23
Rot. Bonds1

About 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 15590750) has the molecular formula C6H5F4N3O and a molecular weight of 211.12 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID15590750
Molecular FormulaC6H5F4N3O
Molecular Weight211.12 g/mol
Exact Mass211.04
IUPAC Name4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)nc(F)c1C(F)(F)F
InChIInChI=1S/C6H5F4N3O/c1-14-4-2(6(8,9)10)3(7)12-5(11)13-4/h1H3,(H2,11,12,13)
InChIKeyAXRKVXJOBKXCIL-UHFFFAOYSA-N
XLogP1.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (CID 15590750) is 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(N)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AXRKVXJOBKXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O/c1-14-4-2(6(8,9)10)3(7)12-5(11)13-4/h1H3,(H2,11,12,13).
What are the key properties of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 211.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 15590750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).